Difluoroborane

• Formula: BF₂H
• Molecular weight: 49.816
• IUPAC Standard InChI: InChI=1S/BF2H/c2-1-3/h1H Copy

  
• IUPAC Standard InChIKey: LRZMJFRZMNWFKE-UHFFFAOYSA-N Copy
• CAS Registry Number: 13709-83-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Computational Chemistry Comparison and Benchmark Database
• Options:
  • Switch to SI units

Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

BF₂^- +  =

By formula: BF₂^- + H⁺ = HBF₂

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   X

Additional references: Jacox, 1998, page 238; Kasuya, Lafferty, et al., 1968; Westwood, Lewis-Bevan, et al., 1984

Notes

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Srivastava, Uy, et al., 1974
Srivastava, R.D.; Uy, O.M.; Farber, M., Experimental determination of heats of formation of negative ions and electron affinities of several boron and aluminum fluorides, J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1033. [all data]

Coyle, Ritter, et al., 1964
Coyle, T.D.; Ritter, J.J.; Farrar, T.C., Proc. Chem. Soc., 1964, 25. [all data]

Perec and Becka, 1965
Perec, M.; Becka, L.N., Infrared Spectra of Difluoroborane and Difluoroborane-d, J. Chem. Phys., 1965, 43, 2, 721, https://doi.org/10.1063/1.1696796 . [all data]

Lynds and Bass, 1965
Lynds, L.; Bass, C.D., Vibrational---Rotational Spectrum of Difluoroborane and Difluoroborane-d, J. Chem. Phys., 1965, 43, 12, 4357, https://doi.org/10.1063/1.1696697 . [all data]

Porter and Wason, 1965
Porter, R.F.; Wason, S.K., Reaction of Boroxine with BF3(g). Infrared Spectrum and Stability of HBF2(g), J. Phys. Chem., 1965, 69, 7, 2208, https://doi.org/10.1021/j100891a010 . [all data]

Shirk and Shirk, 1983
Shirk, A.E.; Shirk, J.S., Matrix isolation-mass spectroscopy study of the reaction of boron trifluoride with trimethylamine-alane and trimethylamine-gallane, Inorg. Chem., 1983, 22, 1, 72, https://doi.org/10.1021/ic00143a018 . [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Kasuya, Lafferty, et al., 1968
Kasuya, T.; Lafferty, W.J.; Lide, D.R., Microwave Spectrum, Structure, Boron Quadrupole Coupling Constants, and Dipole Moment of Difluoroborane, J. Chem. Phys., 1968, 48, 1, 1, https://doi.org/10.1063/1.1664452 . [all data]

Westwood, Lewis-Bevan, et al., 1984
Westwood, N.P.C.; Lewis-Bevan, W.; Gerry, M.C.L., The microwave spectrum and centrifugal distortion constants of difluoroborane, HBF2, J. Mol. Spectrosc., 1984, 106, 1, 227, https://doi.org/10.1016/0022-2852(84)90095-X . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.